==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 10-JUL-07 2QK7 . COMPND 2 MOLECULE: GAMMA-HEMOLYSIN COMPONENT A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR P.ROBLIN,V.GUILLET,L.MAVEYRAUD,L.MOUREY . 546 7 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 397 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 271 49.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 70 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 4 0 2 3 4 2 4 0 2 1 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 11 A A 0 0 88 0, 0.0 2,-0.3 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 121.3 -14.2 -32.7 -14.3 2 12 A E E -A 27 0A 92 25,-2.4 25,-3.3 2,-0.0 2,-0.5 -0.966 360.0-132.2-141.8 168.1 -12.0 -35.4 -13.0 3 13 A I E -A 26 0A 61 -2,-0.3 2,-0.6 23,-0.2 23,-0.2 -0.962 10.1-162.3-119.8 123.8 -10.9 -37.1 -9.7 4 14 A I E -A 25 0A 26 21,-2.2 21,-3.4 -2,-0.5 2,-0.4 -0.958 18.4-157.4-109.5 115.6 -7.3 -37.8 -9.0 5 15 A K E +A 24 0A 45 -2,-0.6 2,-0.3 19,-0.2 19,-0.2 -0.799 17.9 167.4 -96.5 132.4 -7.1 -40.4 -6.1 6 16 A R E -A 23 0A 48 17,-3.2 17,-2.8 -2,-0.4 2,-0.3 -0.942 14.5-156.2-130.2 161.8 -4.2 -41.0 -3.8 7 17 A T E -A 22 0A 12 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.928 5.1-165.3-130.9 159.0 -3.8 -42.9 -0.6 8 18 A Q E -A 21 0A 18 13,-1.8 13,-2.9 -2,-0.3 2,-0.5 -0.971 4.7-172.6-138.5 127.9 -1.4 -42.7 2.4 9 19 A D E +A 20 0A 60 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.992 12.8 166.3-121.3 126.6 -1.1 -45.5 5.0 10 20 A I E -A 19 0A 35 9,-1.8 9,-2.7 -2,-0.5 2,-0.4 -0.990 17.1-157.9-140.6 136.9 1.0 -44.9 8.1 11 21 A T E -A 18 0A 76 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.965 10.4-149.2-113.8 131.8 1.2 -46.8 11.4 12 22 A S E >> -A 17 0A 18 5,-3.3 4,-1.8 -2,-0.4 5,-1.6 -0.921 11.9-170.7 -96.9 110.5 2.4 -45.6 14.8 13 23 A K T 45S+ 0 0 87 -2,-0.7 -1,-0.2 1,-0.2 5,-0.0 0.921 84.0 54.1 -67.1 -45.4 3.9 -48.7 16.5 14 24 A R T 45S+ 0 0 81 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.880 120.5 30.3 -53.5 -47.4 4.3 -47.0 19.8 15 25 A L T 45S- 0 0 34 2,-0.1 -1,-0.2 227,-0.0 -2,-0.2 0.680 100.7-127.8 -90.3 -15.4 0.6 -45.9 20.0 16 26 A A T <5 + 0 0 9 -4,-1.8 29,-1.6 1,-0.2 2,-0.4 0.929 62.0 139.0 57.6 49.1 -0.9 -48.9 18.0 17 27 A I E < -AB 12 44A 1 -5,-1.6 -5,-3.3 27,-0.2 2,-0.4 -0.982 38.4-159.8-122.5 137.8 -2.7 -46.5 15.7 18 28 A a E -AB 11 43A 5 25,-3.0 25,-2.4 -2,-0.4 2,-0.7 -0.984 3.6-161.0-113.0 124.8 -3.2 -46.6 11.8 19 29 A Q E +AB 10 42A 2 -9,-2.7 -9,-1.8 -2,-0.4 2,-0.7 -0.924 10.9 179.6 -94.7 106.5 -4.1 -43.7 9.6 20 30 A N E -AB 9 41A 63 21,-2.1 21,-1.5 -2,-0.7 2,-0.3 -0.894 17.3-176.3-102.7 102.8 -5.5 -45.0 6.3 21 31 A I E -AB 8 40A 1 -13,-2.9 -13,-1.8 -2,-0.7 2,-0.4 -0.738 21.0-156.1-105.6 143.6 -6.2 -41.8 4.4 22 32 A Q E -AB 7 39A 26 17,-2.4 17,-2.9 -2,-0.3 2,-0.5 -0.978 8.7-167.9-110.1 133.5 -7.8 -41.2 1.0 23 33 A F E -AB 6 38A 0 -17,-2.8 -17,-3.2 -2,-0.4 2,-0.5 -0.982 4.8-174.7-125.6 115.3 -7.1 -38.0 -0.8 24 34 A D E -AB 5 37A 3 13,-2.7 13,-2.9 -2,-0.5 2,-0.6 -0.955 12.9-150.4-114.6 118.3 -9.3 -37.2 -3.8 25 35 A F E -AB 4 36A 4 -21,-3.4 -21,-2.2 -2,-0.5 2,-0.9 -0.841 5.7-150.8 -88.9 122.4 -8.4 -34.1 -6.0 26 36 A V E -AB 3 35A 4 9,-2.6 2,-0.9 -2,-0.6 9,-0.8 -0.862 14.3-171.8 -89.1 104.8 -11.5 -32.6 -7.6 27 37 A K E +A 2 0A 74 -25,-3.3 -25,-2.4 -2,-0.9 2,-0.5 -0.844 15.6 166.0-102.2 100.8 -10.1 -31.1 -10.8 28 38 A D > - 0 0 11 -2,-0.9 3,-1.7 5,-0.4 -2,-0.1 -0.947 32.1-161.0-130.9 113.9 -13.0 -29.1 -12.3 29 39 A K T 3 S+ 0 0 188 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.823 96.7 57.4 -62.2 -36.2 -12.7 -26.5 -15.1 30 40 A K T 3 S+ 0 0 165 1,-0.0 2,-0.4 2,-0.0 -1,-0.3 0.194 98.1 86.1 -74.0 14.9 -16.0 -24.9 -14.2 31 41 A Y < - 0 0 35 -3,-1.7 -3,-0.2 1,-0.1 70,-0.1 -0.970 68.3-148.6-132.9 126.1 -14.6 -24.4 -10.7 32 42 A N S S+ 0 0 81 -2,-0.4 170,-0.9 68,-0.1 2,-0.2 0.854 78.6 41.4 -46.0 -49.7 -12.5 -21.4 -9.3 33 43 A K E S- C 0 201A 68 168,-0.2 -5,-0.4 170,-0.0 2,-0.3 -0.505 78.5-111.0-106.9 165.2 -10.5 -23.5 -6.8 34 44 A D E - C 0 200A 27 166,-3.5 166,-2.6 -2,-0.2 2,-0.4 -0.711 35.2-162.1 -77.0 145.9 -8.7 -26.7 -6.2 35 45 A A E -BC 26 199A 1 -9,-0.8 -9,-2.6 -2,-0.3 2,-0.5 -0.999 11.1-166.1-130.7 138.8 -10.5 -29.1 -3.7 36 46 A L E -BC 25 198A 0 162,-2.7 162,-2.9 -2,-0.4 2,-0.6 -0.980 9.8-155.2-122.6 115.8 -9.0 -32.1 -1.9 37 47 A V E -BC 24 197A 1 -13,-2.9 -13,-2.7 -2,-0.5 2,-0.5 -0.846 14.2-161.2 -90.6 123.2 -11.6 -34.4 -0.2 38 48 A V E -BC 23 196A 0 158,-2.6 158,-1.6 -2,-0.6 2,-0.6 -0.955 6.1-165.4-112.1 120.2 -9.8 -36.1 2.6 39 49 A K E -BC 22 195A 19 -17,-2.9 -17,-2.4 -2,-0.5 2,-0.7 -0.929 9.1-152.5-109.8 124.0 -11.3 -39.3 4.0 40 50 A M E +BC 21 194A 0 154,-3.2 154,-2.0 -2,-0.6 2,-0.2 -0.833 31.6 140.9-104.0 114.6 -9.9 -40.4 7.3 41 51 A Q E +B 20 0A 58 -21,-1.5 -21,-2.1 -2,-0.7 2,-0.4 -0.608 15.8 95.0-133.4-169.4 -10.0 -44.1 8.2 42 52 A G E -B 19 0A 8 150,-0.4 2,-0.4 -23,-0.3 -23,-0.2 -0.939 68.4 -67.7 115.9-141.5 -7.7 -46.7 9.9 43 53 A F E -B 18 0A 6 -25,-2.4 -25,-3.0 -2,-0.4 2,-0.5 -0.994 20.4-159.5-162.4 140.3 -7.8 -47.8 13.5 44 54 A I E -BD 17 190A 0 146,-2.3 146,-2.9 -2,-0.4 -27,-0.2 -0.975 29.7-134.6-128.7 110.1 -7.1 -46.5 16.9 45 55 A S E - D 0 189A 22 -29,-1.6 144,-0.3 -2,-0.5 143,-0.1 -0.313 6.9-134.8 -63.9 145.1 -6.6 -49.3 19.3 46 56 A S - 0 0 5 142,-2.1 143,-0.2 138,-0.2 3,-0.1 0.908 22.2-158.2 -70.8 -36.1 -8.4 -49.2 22.7 47 57 A R + 0 0 99 141,-0.4 2,-0.7 1,-0.2 140,-0.1 0.887 21.2 176.9 57.0 42.2 -5.2 -50.2 24.5 48 58 A T - 0 0 26 138,-0.3 2,-0.4 139,-0.1 -1,-0.2 -0.723 5.9-173.5 -80.4 115.1 -7.3 -51.3 27.4 49 59 A T E -F 59 0B 69 10,-0.9 10,-2.2 -2,-0.7 2,-0.5 -0.866 22.1-156.3-115.2 144.7 -5.0 -52.8 30.0 50 60 A Y E +F 58 0B 58 -2,-0.4 123,-0.2 8,-0.2 8,-0.2 -0.961 34.5 150.0-116.3 109.5 -5.6 -54.7 33.3 51 61 A S E -F 57 0B 37 6,-2.6 6,-3.3 -2,-0.5 2,-0.3 -0.699 43.9-112.1-125.1 176.7 -2.6 -54.4 35.7 52 62 A D E F 56 0B 114 4,-0.2 4,-0.2 -2,-0.2 119,-0.0 -0.794 360.0 360.0-101.4 155.7 -1.7 -54.4 39.5 53 63 A L 0 0 129 2,-1.4 -1,-0.0 -2,-0.3 4,-0.0 -0.464 360.0 360.0 -82.2 360.0 -0.3 -51.2 41.0 54 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 69 A I 0 0 104 0, 0.0 -2,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 90.8 -5.4 -53.1 43.7 56 70 A K E -FG 52 223B 3 167,-2.3 167,-1.7 -4,-0.2 2,-0.4 -0.630 360.0-154.1 -79.2 140.5 -6.3 -53.9 40.1 57 71 A R E -FG 51 222B 86 -6,-3.3 -6,-2.6 -2,-0.3 2,-0.6 -0.981 10.1-168.8-119.1 129.0 -6.2 -51.2 37.4 58 72 A M E -FG 50 221B 0 163,-3.0 163,-2.9 -2,-0.4 2,-0.3 -0.973 9.8-165.4-106.5 108.7 -8.2 -51.1 34.2 59 73 A I E +FG 49 220B 17 -10,-2.2 -10,-0.9 -2,-0.6 161,-0.2 -0.782 20.9 168.6 -89.2 143.6 -7.0 -48.3 31.9 60 74 A W E - G 0 219B 0 159,-2.2 159,-3.0 -2,-0.3 2,-0.6 -0.986 40.1 -93.5-162.2 149.9 -9.5 -47.6 29.1 61 75 A P E + G 0 218B 0 0, 0.0 157,-0.3 0, 0.0 3,-0.1 -0.646 33.3 173.8 -82.3 117.2 -10.4 -45.1 26.3 62 76 A F E S+ 0 0 6 155,-3.9 84,-3.1 -2,-0.6 2,-0.4 0.881 72.9 12.9 -86.3 -40.9 -12.8 -42.5 27.4 63 77 A Q E -HG 145 217B 19 154,-1.5 154,-2.4 82,-0.2 2,-0.4 -0.994 63.9-144.5-136.7 141.7 -12.6 -40.5 24.3 64 78 A Y E -HG 144 216B 0 80,-2.7 80,-2.2 -2,-0.4 2,-0.4 -0.863 23.7-148.4 -98.9 137.8 -11.2 -41.0 20.7 65 79 A N E +HG 143 215B 15 150,-2.3 150,-2.1 -2,-0.4 2,-0.3 -0.917 22.1 167.7-111.5 140.4 -9.7 -38.0 19.1 66 80 A I E +HG 142 214B 1 76,-1.9 76,-2.9 -2,-0.4 2,-0.3 -0.979 11.5 155.9-143.5 131.2 -9.6 -37.0 15.4 67 81 A S E -HG 141 213B 18 146,-2.0 146,-2.1 -2,-0.3 2,-0.4 -0.999 27.2-157.9-151.5 154.9 -8.6 -33.7 13.9 68 82 A L E +HG 140 212B 0 72,-2.1 72,-2.4 -2,-0.3 2,-0.3 -0.993 25.4 168.8-133.2 135.1 -7.3 -32.0 10.8 69 83 A K E -HG 139 211B 70 142,-1.9 142,-3.8 -2,-0.4 2,-0.3 -0.977 15.1-168.6-146.3 144.9 -5.6 -28.6 11.1 70 84 A T - 0 0 13 68,-2.6 140,-0.2 -2,-0.3 7,-0.1 -0.929 15.3-163.6-129.7 160.3 -3.6 -26.3 8.9 71 85 A K + 0 0 208 138,-0.5 139,-0.1 -2,-0.3 2,-0.1 0.388 62.1 102.5-119.1 -1.8 -1.6 -23.1 9.7 72 86 A D - 0 0 47 137,-0.5 3,-0.1 1,-0.1 -2,-0.1 -0.368 62.6-148.8 -85.4 161.8 -1.3 -21.9 6.1 73 87 A S S S+ 0 0 94 1,-0.1 -1,-0.1 -2,-0.1 3,-0.0 0.348 91.9 80.0-107.6 -2.1 -3.4 -19.2 4.5 74 88 A N S S+ 0 0 25 1,-0.1 127,-0.4 135,-0.1 2,-0.3 0.736 97.7 39.9 -59.3 -28.2 -3.0 -21.1 1.2 75 89 A V - 0 0 3 125,-0.1 2,-0.3 -3,-0.1 125,-0.2 -0.956 58.0-173.2-143.8 132.7 -5.9 -23.4 2.3 76 90 A D E -E 199 0A 58 123,-1.8 123,-3.0 -2,-0.3 2,-0.4 -0.976 29.5-118.7-127.9 150.6 -9.3 -23.5 4.1 77 91 A L E -E 198 0A 16 60,-2.0 121,-0.2 -2,-0.3 3,-0.1 -0.731 27.2-178.5 -78.5 135.3 -11.6 -26.3 5.2 78 92 A I E - 0 0 73 119,-2.4 2,-0.3 -2,-0.4 -1,-0.1 0.555 62.4 -1.4-113.1 -15.5 -14.9 -25.9 3.3 79 93 A N E -E 197 0A 27 118,-0.6 118,-1.7 2,-0.0 -1,-0.3 -0.948 56.8-168.0-161.0 166.9 -16.9 -28.9 4.8 80 94 A Y E -E 196 0A 57 -2,-0.3 116,-0.2 116,-0.2 25,-0.0 -0.975 22.0-111.8-158.7 150.1 -16.5 -31.7 7.3 81 95 A L E S+E 195 0A 4 114,-2.4 114,-2.6 -2,-0.3 2,-0.1 -0.998 99.5 37.8-142.3 137.4 -18.5 -34.9 8.2 82 96 A P S S- 0 0 0 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.558 75.7-179.5 -59.9 144.8 -20.0 -35.5 10.7 83 97 A K + 0 0 106 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.761 63.2 32.3 -88.4 -29.7 -21.1 -31.8 10.8 84 98 A N S S- 0 0 108 1,-0.1 -1,-0.2 47,-0.1 46,-0.1 -0.932 98.1 -78.7-132.1 149.9 -23.1 -32.1 14.0 85 99 A K - 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